%chk=000135931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135931

0 1
 S    1.187800       4.063300     -0.2602000    
 O   0.5196000       1.476600     -3.7700001E-02
 N   -1.524600     -0.2878000      4.3000001E-03
 N   -4.269800      0.4885000      0.1053000    
 N  -2.1700000E-02  -2.098400      6.8200000E-02
 N    2.354500      -1.697400      6.7199998E-02
 N    1.500300      -3.881500      0.1338000    
 C   -2.550300      -1.124400     -0.6333000    
 C   -1.999400      0.5949000       1.075600    
 C   -3.759900     -0.2788000      -1.030000    
 C   -3.229700       1.378300      0.6186000    
 C  -0.2089000     -0.7641000      2.9800000E-02
 C   0.8244000      0.1516000      1.7000001E-02
 C    3.297400      0.5456000     -6.8000001E-03
 C    2.889400       1.931600     -0.4962000    
 C    2.108700     -0.3684000      2.1000000E-02
 C    1.616600       2.360100      0.2356000    
 C    1.265500      -2.490000      8.7800004E-02
 H   -2.856000      -1.921400      5.6600001E-02
 H   -2.152400      -1.599500      -1.538800    
 H   -1.247900       1.306300       1.428100    
 H   -2.261100     -2.3800001E-02   1.944600    
 H   -3.494000      0.4003000      -1.849900    
 H   -4.552400     -0.9367000      -1.403000    
 H   -3.631500       1.943200       1.466800    
 H   -2.948000       2.109100     -0.1499000    
 H    3.707000      0.6129000       1.008100    
 H    4.077300      0.1351000     -0.6576000    
 H   -5.069300       1.044700     -0.1965000    
 H    3.715400       2.632300     -0.3274000    
 H    2.703200       1.881700      -1.577800    
 H    1.780800       2.376800       1.320100    
 H    2.301000       4.646500      0.2084000    
 H   0.7152000      -4.517700      0.1500000    
 H    2.450600      -4.224900      0.1494000    


%chk=000135931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135931

0 1
S 1.768257 4.110719 1.117946
O 0.780370 1.641953 0.581878
N -1.561179 -0.132080 0.622271
N -4.159047 0.398576 -0.459808
N -0.169438 -1.896861 -0.070139
N 2.195154 -1.620996 -0.611462
N 1.154833 -3.718699 -0.705524
C -2.664654 -1.110178 0.786784
C -2.059874 1.261642 0.517319
C -3.666342 -0.996877 -0.383205
C -3.062029 1.372311 -0.656074
C -0.301503 -0.564472 0.231469
C 0.871453 0.277099 0.163689
C 3.337710 0.546199 -0.433087
C 3.059927 2.060356 -0.296504
C 2.077176 -0.289960 -0.293093
C 2.086643 2.280052 0.866865
C 1.058104 -2.363833 -0.447897
H -3.190282 -0.871408 1.731798
H -2.234110 -2.120361 0.834005
H -1.222189 1.957061 0.383245
H -2.591238 1.510209 1.456724
H -3.150786 -1.331977 -1.316080
H -4.522710 -1.671902 -0.200129
H -3.483835 2.394260 -0.674014
H -2.500849 1.211970 -1.610826
H 4.067630 0.212460 0.330067
H 3.794709 0.319221 -1.412852
H -4.921493 0.515239 -1.138524
H 3.998151 2.614563 -0.117070
H 2.598037 2.458717 -1.218662
H 2.478970 1.853127 1.808915
H 0.991863 3.960351 2.255718
H 0.330610 -4.303848 -0.613400
H 2.049762 -4.098032 -0.999145


